(2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C107H108Cl2N30O7 — CID 157339937

About (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157339937) has the molecular formula C107H108Cl2N30O7 and a molecular weight of 1997.15 g/mol. Its IUPAC name is (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 157339937
• Molecular Formula: C107H108Cl2N30O7
• Molecular Weight: 1997.15 g/mol
• Exact Mass: 1994.84
• IUPAC Name: (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: CCc1ccccc1-c1cc2cc(NC(=O)N[C@@H]3CCN(C)C3=O)ncc2c(N)n1.COCCN1CC(NC(=O)Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)NC3CNC3)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)C3C[C@@H]3c3cn[nH]c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1Cl
• InChI: InChI=1S/2C22H19ClN6O.C22H26N6O2.C22H24N6O2.C19H20N6O/c2*1-11-4-2-3-5-13(11)20-19(23)15-7-18(25-10-17(15)21(24)29-20)28-22(30)16-6-14(16)12-8-26-27-9-12;1-14-5-3-4-6-17(14)19-9-15-10-20(24-11-18(15)21(23)26-19)27-22(29)25-16-12-28(13-16)7-8-30-2;1-3-13-6-4-5-7-15(13)18-10-14-11-19(24-12-16(14)20(23)25-18)27-22(30)26-17-8-9-28(2)21(17)29;1-11-4-2-3-5-14(11)16-6-12-7-17(22-10-15(12)18(20)24-16)25-19(26)23-13-8-21-9-13/h2*2-5,7-10,14,16H,6H2,1H3,(H2,24,29)(H,26,27)(H,25,28,30);3-6,9-11,16H,7-8,12-13H2,1-2H3,(H2,23,26)(H2,24,25,27,29);4-7,10-12,17H,3,8-9H2,1-2H3,(H2,23,25)(H2,24,26,27,30);2-7,10,13,21H,8-9H2,1H3,(H2,20,24)(H2,22,23,25,26)/t14-,16?;14-,16+;;17-;/m10.1./s1
• InChIKey: BGGXXMNHVXXFMO-VPBWZTTESA-N
• XLogP: 16.33
• TPSA: 542.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.15
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 157339937) is (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is CCc1ccccc1-c1cc2cc(NC(=O)N[C@@H]3CCN(C)C3=O)ncc2c(N)n1.COCCN1CC(NC(=O)Nc2cc3cc(-c4ccccc4C)nc(N)c3cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)NC3CNC3)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)C3C[C@@H]3c3cn[nH]c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1Cl.

What is the InChIKey of (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is BGGXXMNHVXXFMO-VPBWZTTESA-N. The full InChI is InChI=1S/2C22H19ClN6O.C22H26N6O2.C22H24N6O2.C19H20N6O/c2*1-11-4-2-3-5-13(11)20-19(23)15-7-18(25-10-17(15)21(24)29-20)28-22(30)16-6-14(16)12-8-26-27-9-12;1-14-5-3-4-6-17(14)19-9-15-10-20(24-11-18(15)21(23)26-19)27-22(29)25-16-12-28(13-16)7-8-30-2;1-3-13-6-4-5-7-15(13)18-10-14-11-19(24-12-16(14)20(23)25-18)27-22(30)26-17-8-9-28(2)21(17)29;1-11-4-2-3-5-14(11)16-6-12-7-17(22-10-15(12)18(20)24-16)25-19(26)23-13-8-21-9-13/h2*2-5,7-10,14,16H,6H2,1H3,(H2,24,29)(H,26,27)(H,25,28,30);3-6,9-11,16H,7-8,12-13H2,1-2H3,(H2,23,26)(H2,24,25,27,29);4-7,10-12,17H,3,8-9H2,1-2H3,(H2,23,25)(H2,24,26,27,30);2-7,10,13,21H,8-9H2,1H3,(H2,20,24)(H2,22,23,25,26)/t14-,16?;14-,16+;;17-;/m10.1./s1.

What are the key properties of (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?

(2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 1997.15 g/mol, XLogP of 16.33, 21 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(azetidin-3-yl)urea;1-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]urea;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157339937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).